5-chloro-1H-indole-2-carboxylic acid;ethane

C11H12ClNO2 — CID 143173847

IUPAC5-chloro-1H-indole-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C9H6ClNO2.C2H6/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13;1-2/h1-4,11H,(H,12,13);1-2H3
InChIKeyVCZOUSBDPPZCPG-UHFFFAOYSA-N
MW225.68 g/mol
LogP3.55
Rot. Bonds1

About 5-chloro-1H-indole-2-carboxylic acid;ethane

5-chloro-1H-indole-2-carboxylic acid;ethane (PubChem CID 143173847) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 5-chloro-1H-indole-2-carboxylic acid;ethane.

Molecular Properties

Compound Name5-chloro-1H-indole-2-carboxylic acid;ethane
PubChem CID143173847
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name5-chloro-1H-indole-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C9H6ClNO2.C2H6/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13;1-2/h1-4,11H,(H,12,13);1-2H3
InChIKeyVCZOUSBDPPZCPG-UHFFFAOYSA-N
XLogP3.55
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-1H-indole-2-carboxylate
CID 6933350
ethane;1H-indole-2-carboxylic acid
CID 91052830
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
4-(5-chloro-1H-indole-2-carbonyl)oxybenzoic acid
CID 71564543
1-(5-chloro-1H-indol-2-yl)heptan-1-one
CID 66777278
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
CID 55559287
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
CID 20627086

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole-2-carboxylic acid;ethane?
The IUPAC name of 5-chloro-1H-indole-2-carboxylic acid;ethane (CID 143173847) is 5-chloro-1H-indole-2-carboxylic acid;ethane.
What is the SMILES notation for 5-chloro-1H-indole-2-carboxylic acid;ethane?
The canonical SMILES for 5-chloro-1H-indole-2-carboxylic acid;ethane is CC.O=C(O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-1H-indole-2-carboxylic acid;ethane?
The InChIKey is VCZOUSBDPPZCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2.C2H6/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13;1-2/h1-4,11H,(H,12,13);1-2H3.
What are the key properties of 5-chloro-1H-indole-2-carboxylic acid;ethane?
5-chloro-1H-indole-2-carboxylic acid;ethane has a molecular weight of 225.68 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indole-2-carboxylic acid;ethane is sourced from PubChem (CID 143173847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).